2-[[1-(4-chlorophenyl)-3-(methoxymethyl)-5-oxidanylidene-4H-pyrazol-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid

Systemtic Name: 2-[[1-(4-chlorophenyl)-3-(methoxymethyl)-5-oxidanylidene-4H-pyrazol-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid Openeye Name: 2-[[1-(4-chlorophenyl)-3-(methoxymethyl)-5-oxo-4H-pyrazol-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid CAS Name: 2-[[1-(4-chlorophenyl)-3-(methoxymethyl)-5-oxo-4H-pyrazol-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]-2-propenoic acid IUPAC Name: 2-[[1-(4-chlorophenyl)-3-(methoxymethyl)-5-oxo-4H-pyrazol-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid Traditional Name: 2-[[1-(4-chlorophenyl)-5-keto-3-(methoxymethyl)-2-pyrazolin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]acrylic acid Formula: C22H18ClF3N2O4 MolecularWeight: 466.83753

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC1=NN(C(=O)C1CC(=CC2=CC=C(C=C2)C(F)(F)F)C(=O)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COCC1=NN(C(=O)C1CC(=CC2=CC=C(C=C2)C(F)(F)F)C(=O)O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H18ClF3N2O4/c1-32-12-19-18(20(29)28(27-19)17-8-6-16(23)7-9-17)11-14(21(30)31)10-13-2-4-15(5-3-13)22(24,25)26/h2-10,18H,11-12H2,1H3,(H,30,31)